3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanoic acid

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanoic acid Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butanoic acid CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)butanoic acid IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoic acid Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butyric acid Formula: C9H13BrN2O2 MolecularWeight: 261.11572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)CC(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)CC(=O)O)C)Br

InChI

InChI=1S/C9H13BrN2O2/c1-5(4-8(13)14)12-7(3)9(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)